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15448-90-5 | 1,2-Benzisothiazole,2,3-dihydro-2,3-dimethyl-3-phenyl-, 1,1-dioxide
CAS No: 15448-90-5 Catalog No: AG007XHX MDL No:
Product Description
Catalog Number:
AG007XHX
Chemical Name:
1,2-Benzisothiazole,2,3-dihydro-2,3-dimethyl-3-phenyl-, 1,1-dioxide
CAS Number:
15448-90-5
Molecular Formula:
C15H15NO2S
Molecular Weight:
273.3501
IUPAC Name:
2,3-dimethyl-3-phenyl-1,2-benzothiazole 1,1-dioxide
InChI:
InChI=1S/C15H15NO2S/c1-15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19(17,18)16(15)2/h3-11H,1-2H3
InChI Key:
BPSQPVMFPVVUKZ-UHFFFAOYSA-N
SMILES:
CN1C(C)(c2ccccc2)c2c(S1(=O)=O)cccc2
NSC Number:
108408
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.35g/mol
Monoisotopic Mass:
273.082g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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